CID 52927462

Pg(p-18:0/0:0)

Structural Information

Molecular Formula
C24H49O8P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C24H49O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-20-24(27)22-32-33(28,29)31-21-23(26)19-25/h17-18,23-27H,2-16,19-22H2,1H3,(H,28,29)/b18-17-/t23-,24+/m0/s1
InChIKey
ZVJHBELSXHODKR-LWACLWBTSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] [(2R)-2-hydroxy-3-[(Z)-octadec-1-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

496.3165 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.32378 222.6
[M+Na]+ 519.30572 222.5
[M-H]- 495.30922 213.3
[M+NH4]+ 514.35032 220.2
[M+K]+ 535.27966 219.4
[M+H-H2O]+ 479.31376 211.5
[M+HCOO]- 541.31470 227.2
[M+CH3COO]- 555.33035 233.3
[M+Na-2H]- 517.29117 204.8
[M]+ 496.31595 218.0
[M]- 496.31705 218.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe